Vitas-M small molecule compound
ethyl 4-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate
Catalog ID
STL091026
SMILES CCOC(=O)C1C(NC(=S)NC1(O)C(F)(F)F)c1ccc(c(c1)OC)O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C15H17F3N2O5S MW 394.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17F3N2O5S/c1-3-25-12(22)10-11(7-4-5-8(21)9(6-7)24-2)19-13(26)20-14(10,23)15(16,17)18/h4-6,10-11,21,23H,3H2,1-2H3,(H2,19,20,26)InChIKey
FOVJPTLXAWJHNY-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(NC(=S)NC1(C(F)(F)F)O)C2=CC(=C(C=C2)O)OC
ETHYL(4R5R6R)4HYDROXY6(4HYDROXY3METHOXYPHENYL)2THIOXO4(TRIFLUOROMETHYL)HEXAHYDROPYRIMIDINE5CARBOXYLATE
ETHYL4HYDROXY6(4HYDROXY3METHOXYPHENYL)2SULFANYLIDENE4(TRIFLUOROMETHYL)13DIAZINANE5CARBOXYLATE
ETHYL4HYDROXY6(4HYDROXY3METHOXYPHENYL)2THIOXO4(TRIFLUOROMETHYL)13DIAZAPERHYDROINE5CARBOXYLATE
ethyl4hydroxy6(4hydroxy3methoxyphenyl)2thioxo4(trifluoromethyl)hexahydropyrimidine5carboxylate
InChI=1SC15H17F3N2O5Sc132512(22)1011(7458(21)9(67)242)1913(26)2014(1023)15(1617)18h4610112123H3H212H3(H2192026)
MFCD02332306
ZINC000008685633
ZINC000013865377
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